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Chemical ID: 7077377

Cc1ccc(cc1C)N=C2C(=Cc3ccc(o3)c4cc(cc(c4)Cl)Cl)SC(=O)N2

Chemical ID:

7077377

Name [?]:

5-[[5-(3,5-dichlorophenyl)-2-furyl]methylene]-4-(3,4-dimethylphenyl)imino-thiazolidin-2-one

SMILES [?]:

Cc1ccc(cc1C)N=C2C(=Cc3ccc(o3)c4cc(cc(c4)Cl)Cl)SC(=O)N2

InChi [?]:

InChI=1/C22H16Cl2N2O2S/c1-12-3-4-17(7-13(12)2)25-21-20(29-22(27)26-21)11-18-5-6-19(28-18)14-8-15(23)10-16(24)9-14/h3-11H,1-2H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,8,3,4,14,15,6,19,23,21,12,2,7,18,20,22,5,13,16,11,10,27,25,24,9,29,28,17,26/E:(8,9)(15,16)(23,24)/rA:29nCCCCCCCCNCCCCCCCOCCCCCCClClSCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;s20;s11;s26;d27;s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₂O₂S
All Atoms:	45
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8811
Area:	587.368
Solvation:	-2.80313
Coulombic:	-36.255

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	443.346
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.86
LogP (Chemaxon):	6.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value